Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.59 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.59 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.49 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18293614 | 0.90 | ADRB2 (0.59) | ADRB2ADRB1ADRB3ATML3MBTL1 | |
| SCHEMBL29511568 | 0.86 | ATM (0.63) | ADRB2ADRB1ADRB3ATML3MBTL1 | |
| 4-Nitrobenzoic Acid Ethyl Ester SCHEMBL1500579 | 0.81 | KCNJ1 (0.68) | ADRB2ADRB1ADRB3ATML3MBTL1 | |
| SCHEMBL813536 | 0.81 | KMT2A (0.71) | ADRB2ADRB1ADRB3ATML3MBTL1 | |
| SCHEMBL1951987 | 0.81 | ADRB2 (0.50) | ADRB2ADRB1ADRB3ATML3MBTL1 | |
| 4-Nitrobenzoic Acid Ethyl Ester SCHEMBL28242787 | 0.80 | KCNJ1 (0.67) | ADRB2ADRB1ADRB3ATML3MBTL1 | |
| 4-Nitrobenzoic Acid Ethyl Ester SCHEMBL27941051 | 0.80 | KCNJ1 (0.67) | ADRB2ADRB1ADRB3ATML3MBTL1 | |
| 4-Nitrobenzoic Acid Ethyl Ester SCHEMBL21246856 | 0.80 | KCNJ1 (0.67) | ADRB2ADRB1ADRB3ATML3MBTL1 | |
| SCHEMBL15419050 | 0.80 | ADRB2 (0.49) | ADRB2ADRB1ADRB3ATML3MBTL1 | |
| SCHEMBL22609609 | 0.80 | GSK3B (0.62) | ADRB2ADRB1ADRB3ATML3MBTL1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5719307-A | INCLUDING 2-METHYL-1,3-PROPANEDIOL-BIS-PARA-AMINOBENZOATE | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1998-02-17 | — | — | US | disclosed |